A semiempirical model for the two-center repulsion integrals in the NDDO approximation |
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| Authors: | Michael J. S. Dewar Walter Thiel |
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| Affiliation: | (1) Department of Chemistry, The University of Texas at Austin, 78712 Austin, Texas, USA |
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| Abstract: | A self-consistent formalism is proposed for the two-center electron repulsion integrals in the NDDO approximation, based on their expansion in terms of multipole-multipole interactions and free from adjustable parameters. |
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| Keywords: | Two-center repulsion integrals NDDO approximation |
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